Drug Information

Drug General Information
Drug ID
D02RDE
Former ID
DNC000829
Drug Name
JTV-605
Drug Type
Small molecular drug
Indication Dysmenorrhea [ICD9: 625.3; ICD10:N94.4-N94.6] Terminated [546818]
Structure
Download
2D MOL

3D MOL
Formula
C39H44N4O4S
Canonical SMILES
CN(C)C1CCN(CC1)C(=O)CCCOC2=C(C=CC(=C2)C(=O)N3CCCCC4=C3C<br />=CS4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6
InChI
1S/C39H44N4O4S/c1-41(2)30-19-23-42(24-20-30)37(44)16-10-25-47-35-27-29(39(46)43-22-9-8-15-36-34(43)21-26-48-36)17-18-33(35)40-38(45)32-14-7-6-13-31(32)28-11-4-3-5-12-28/h3-7,11-14,17-18,21,26-27,30H,8-10,15-16,19-20,22-25H2,1-2H3,(H,40,45)
InChIKey
LKUCMBNAHQWPJK-UHFFFAOYSA-N
PubChem Compound ID
9939929
PubChem Substance ID
16873021, 24696313, 80094688, 85210258, 103437692, 104028083, 134340146, 244817005
Target and Pathway
Target(s) Vasopressin V2 receptor Target Info Antagonist [535608]
Vasopressin V1a receptor Target Info Antagonist [535608]
KEGG Pathway Neuroactive ligand-receptor interaction
Vasopressin-regulated water reabsorptionhsa04020:Calcium signaling pathway
Vascular smooth muscle contraction
Pathway Interaction Database Arf6 trafficking events
PathWhiz Pathway Vasopressin Regulation of Water Homeostasis
Reactome Vasopressin-like receptors
G alpha (s) signalling events
Vasopressin regulates renal water homeostasis via AquaporinsR-HSA-388479:Vasopressin-like receptors
G alpha (q) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Regulation of Water Balance by Renal Aquaporins
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR downstream signaling
References
Ref 546818Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010443)
Ref 535608Nonpeptide vasopressin receptor antagonists: development of selective and orally active V1a, V2 and V1b receptor ligands. Prog Brain Res. 2002;139:197-210.

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